SCHEMBL27410033

SCHEMBL27410033

CCOC(=O)Cl.NNc1cc(C(=O)O)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 3/20 0.43
LMNA P02545 2/20 0.43
ACLY P53396 3/20 0.41
GAA P10253 3/20 0.40
HTT P42858 2/20 0.40
GFER P55789 2/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
PLEC Q15149 1/20 0.40
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 1/20 0.39
FABP4 P15090 1/20 0.38
PPARG P37231 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28098669 0.90 MAPT (0.46) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL27443326 0.78 CYP1A2 (0.39) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL27646023 0.77 SMN1; SMN2 (0.44) ALDH1A1MAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL27410031 0.76 TSHR (0.41) ALDH1A1MAPTKDM4ELMNAGAA
SCHEMBL28210773 0.76 NPC1 (0.49) ALDH1A1MAPTKDM4ERAB9AMEN1
SCHEMBL28242784 0.75 BCL2L1 (0.53) ALDH1A1MAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL27480011 0.75 NPC1 (0.48) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL27734209 0.73 KDM4E (0.51) ALDH1A1MAPTKDM4ELMNAGAA
Hydrochloric Acid SCHEMBL28489029 0.71 ACLY (0.49) ALDH1A1MAPTKDM4ELMNAACLY
SCHEMBL25791893 0.71 CA1 (0.51) ALDH1A1MAPTKDM4ELMNAGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1252066-C Pyridazine-3-one derivatives, their use, and intermediate preparing them SUMITOMO CHEMICAL CO (JP) 2006-04-19 CN disclosed
CN-1491949-A Pyridazine-3-one derivatives, their use, and intermediate preparing them ס�ѻ�ѧ��ҵ��ʽ���� 2004-04-28 CN disclosed
CN-1117083-C Pyridazin-3-one derivatives, their use, and intermediates for their preparation SUMITOMO CHEMICAL CO (JP) 2003-08-06 CN disclosed
CN-1202157-A Pyridazin-3-one derivatives, their use, and intermediates for their preparation SUMITOMO CHEMICAL CO (JP) 1998-12-16 CN disclosed